>compound Kynurenic acid_Kynurenic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C10H7NO3
#smiles OC(=O)c(c1)nc(c2)c(ccc2)c(O)1
#RECORD LC-ESI-QTOF_train_data/PR100864.txt;LC-ESI-QTOF_train_data/PR100406.txt
>charge -1
>ionization [M-H]-
>parentmass 188.03479

>collision 5-60
144.0444 2158.0
188.0348 188.1

>collision 5-60
89.0411 1037.0
116.0521 1308.0
144.0459 3779.0
145.052 37.82
162.058 1406.0
172.0422 794.2
190.0504 1206.0

